N-[4-(5-bromo-4-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide

C23H19BrN2O3 — CID 46226016

IUPACN-[4-(5-bromo-4-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc(-c2nc3c(C)c(Br)ccc3o2)cc1
InChIInChI=1S/C23H19BrN2O3/c1-14-5-3-4-6-19(14)28-13-21(27)25-17-9-7-16(8-10-17)23-26-22-15(2)18(24)11-12-20(22)29-23/h3-12H,13H2,1-2H3,(H,25,27)
InChIKeyDGYCZWDYJSYRQN-UHFFFAOYSA-N
MW451.32 g/mol
LogP5.89
Rot. Bonds5

About N-[4-(5-bromo-4-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide

N-[4-(5-bromo-4-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide (PubChem CID 46226016) has the molecular formula C23H19BrN2O3 and a molecular weight of 451.32 g/mol. Its IUPAC name is N-[4-(5-bromo-4-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(5-bromo-4-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
PubChem CID46226016
Molecular FormulaC23H19BrN2O3
Molecular Weight451.32 g/mol
Exact Mass450.06
IUPAC NameN-[4-(5-bromo-4-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc(-c2nc3c(C)c(Br)ccc3o2)cc1
InChIInChI=1S/C23H19BrN2O3/c1-14-5-3-4-6-19(14)28-13-21(27)25-17-9-7-16(8-10-17)23-26-22-15(2)18(24)11-12-20(22)29-23/h3-12H,13H2,1-2H3,(H,25,27)
InChIKeyDGYCZWDYJSYRQN-UHFFFAOYSA-N
XLogP5.89
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.32
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 1361277
2-(2,5-dimethylphenoxy)-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 4062395
N-[4-[4-(2,5-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-2-(2-methylphenoxy)acetamide
CID 46392793
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,6-dimethylphenoxy)acetamide
CID 1026063
N-[4-(5-hydroxy-8H-cyclohepta[d][1,3]oxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 143486845
N-(4-hydroxyphenyl)-2-(2-methylphenoxy)acetamide
CID 38113216
N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-nitrophenoxy)acetamide
CID 1364476
2-(2-methoxyphenoxy)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 25284211
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 16581002
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(2-methylphenoxy)acetamide
CID 1372017
2-(2-chlorophenoxy)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 17131987
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 39380313

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-bromo-4-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[4-(5-bromo-4-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide (CID 46226016) is N-[4-(5-bromo-4-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[4-(5-bromo-4-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[4-(5-bromo-4-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3c(C)c(Br)ccc3o2)cc1.
What is the InChIKey of N-[4-(5-bromo-4-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is DGYCZWDYJSYRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN2O3/c1-14-5-3-4-6-19(14)28-13-21(27)25-17-9-7-16(8-10-17)23-26-22-15(2)18(24)11-12-20(22)29-23/h3-12H,13H2,1-2H3,(H,25,27).
What are the key properties of N-[4-(5-bromo-4-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide?
N-[4-(5-bromo-4-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 451.32 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-bromo-4-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 46226016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).